The adsorption of low-coverage of F and Cl adatoms on the Mg（0001） surface was investigated using first-principles calculations based on the density functional theory（DFT）.The stability of the（2×2） structur...The adsorption of low-coverage of F and Cl adatoms on the Mg（0001） surface was investigated using first-principles calculations based on the density functional theory（DFT）.The stability of the（2×2） structures formed by halogen atoms adsorbed at different sites was determined.The difference between the adsorption of F and Cl on Mg（0001） surface was also discussed.The calculation results show that hollow sites are the energetically most favorable at the low-coverage.It can be concluded from the Mulliken charges and density of states that electrons transfer from the substrate Mg atoms to the adatoms,which leads to the formation of adsorbate bond and further causes the stronger interaction between Mg atom and adatom.The interaction between Cl and Mg atoms is weaker than the interaction between F and Mg.展开更多
对S-粗集给出改进,把函数这个分析工具引入到S-粗集中,提出函数S-粗集(function singularrough sets)。函数单向S-粗集(function one direction singular rough sets)是函数S-粗集的基本形式之一,它是以R-函数等价类[u]定义的;ui∈[u]...对S-粗集给出改进,把函数这个分析工具引入到S-粗集中,提出函数S-粗集(function singularrough sets)。函数单向S-粗集(function one direction singular rough sets)是函数S-粗集的基本形式之一,它是以R-函数等价类[u]定义的;ui∈[u]是一个函数,函数是一个规律。函数单向S-粗集具有单向动态特性与规律特征:利用函数单向S-粗集的规律特征,给出F-规律推理与F-规律推理的规律挖掘概念,提出F-规律推理的规律挖掘定理,F-规律推理的规律挖掘原理与F-规律推理的规律挖掘应用。F-规律推理的规律挖掘是寻找系统中未知规律研究的一个新的研究方向。展开更多
利用单向S-粗集(one direction singular rough sets)与它的动态特性,给出F-阶梯知识、F-阶梯度的概念。利用这些概念,提出F-阶梯知识分辩定理、最小F-阶梯知识挖掘-发现定理、最大F-阶梯知识挖掘-发现定理、知识发现依赖-筛选定理与F-...利用单向S-粗集(one direction singular rough sets)与它的动态特性,给出F-阶梯知识、F-阶梯度的概念。利用这些概念,提出F-阶梯知识分辩定理、最小F-阶梯知识挖掘-发现定理、最大F-阶梯知识挖掘-发现定理、知识发现依赖-筛选定理与F-阶梯知识内潜藏原理,给出F-阶梯知识挖掘-发现准则及应用。这些结果是单向S-粗集的新特性与单向S-粗集的动态特性的新应用。展开更多
基金Project (51201079) supported by the National Natural Science Foundation of ChinaProject (2012Z099) supported by the Scientific Research Fund of Department of Education of Yunnan Province,ChinaProject (KKSY201251033) supported by the Scientific Research Foundation for Introduced Talents of KMUST,China
文摘The adsorption of low-coverage of F and Cl adatoms on the Mg（0001） surface was investigated using first-principles calculations based on the density functional theory（DFT）.The stability of the（2×2） structures formed by halogen atoms adsorbed at different sites was determined.The difference between the adsorption of F and Cl on Mg（0001） surface was also discussed.The calculation results show that hollow sites are the energetically most favorable at the low-coverage.It can be concluded from the Mulliken charges and density of states that electrons transfer from the substrate Mg atoms to the adatoms,which leads to the formation of adsorbate bond and further causes the stronger interaction between Mg atom and adatom.The interaction between Cl and Mg atoms is weaker than the interaction between F and Mg.
文摘对S-粗集给出改进,把函数这个分析工具引入到S-粗集中,提出函数S-粗集(function singularrough sets)。函数单向S-粗集(function one direction singular rough sets)是函数S-粗集的基本形式之一,它是以R-函数等价类[u]定义的;ui∈[u]是一个函数,函数是一个规律。函数单向S-粗集具有单向动态特性与规律特征:利用函数单向S-粗集的规律特征,给出F-规律推理与F-规律推理的规律挖掘概念,提出F-规律推理的规律挖掘定理,F-规律推理的规律挖掘原理与F-规律推理的规律挖掘应用。F-规律推理的规律挖掘是寻找系统中未知规律研究的一个新的研究方向。
文摘利用单向S-粗集(one direction singular rough sets)与它的动态特性,给出F-阶梯知识、F-阶梯度的概念。利用这些概念,提出F-阶梯知识分辩定理、最小F-阶梯知识挖掘-发现定理、最大F-阶梯知识挖掘-发现定理、知识发现依赖-筛选定理与F-阶梯知识内潜藏原理,给出F-阶梯知识挖掘-发现准则及应用。这些结果是单向S-粗集的新特性与单向S-粗集的动态特性的新应用。
